USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot 180:sc= -0.528 USER MOD Set 1.2: A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -84:sc= -0.444 USER MOD Single : A 15 THR OG1 : rot -96:sc= 0.446 USER MOD Single : A 16 THR OG1 : rot 68:sc= 1.2 USER MOD Single : A 21 SER OG : rot 94:sc= 1.01 USER MOD Single : A 22 SER OG : rot 87:sc= 0.413 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 93:sc= -0.927! USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -20:sc= -0.383 USER MOD Single : A 60 TYR OH : rot 165:sc= -0.618 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 65 LYS NZ :NH3+ -156:sc= -0.0578 (180deg=-0.467) USER MOD Single : A 67 GLN :FLIP amide:sc= -4.7! C(o=-5.6!,f=-4.7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 74:sc= 1.23 USER MOD Single : A 73 THR OG1 : rot -101:sc= -0.805! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.799 F(o=-3.7!,f=-0.8) USER MOD Single : A 80 LYS NZ :NH3+ -150:sc= -2.12 (180deg=-3.89!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 54 N PRO A 4 -1.021 -3.221 -0.007 1.00 0.00 N ATOM 55 CA PRO A 4 -0.378 -4.338 0.748 1.00 0.00 C ATOM 56 C PRO A 4 0.738 -3.839 1.665 1.00 0.00 C ATOM 57 O PRO A 4 1.003 -4.430 2.707 1.00 0.00 O ATOM 58 CB PRO A 4 0.169 -5.265 -0.356 1.00 0.00 C ATOM 59 CG PRO A 4 0.340 -4.385 -1.554 1.00 0.00 C ATOM 60 CD PRO A 4 -0.748 -3.317 -1.455 1.00 0.00 C ATOM 0 HA PRO A 4 -1.078 -4.844 1.413 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.116 -5.715 -0.059 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -0.522 -6.082 -0.563 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.331 -3.931 -1.566 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.241 -4.958 -2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.410 -2.364 -1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.640 -3.603 -2.012 1.00 0.00 H new ATOM 68 N LYS A 5 1.388 -2.752 1.264 1.00 0.00 N ATOM 69 CA LYS A 5 2.477 -2.192 2.055 1.00 0.00 C ATOM 70 C LYS A 5 1.939 -1.378 3.230 1.00 0.00 C ATOM 71 O LYS A 5 2.692 -0.964 4.106 1.00 0.00 O ATOM 72 CB LYS A 5 3.367 -1.318 1.162 1.00 0.00 C ATOM 73 CG LYS A 5 4.563 -0.808 1.968 1.00 0.00 C ATOM 74 CD LYS A 5 5.605 -0.185 1.028 1.00 0.00 C ATOM 75 CE LYS A 5 6.831 0.306 1.833 1.00 0.00 C ATOM 76 NZ LYS A 5 7.084 1.741 1.520 1.00 0.00 N ATOM 0 H LYS A 5 1.182 -2.245 0.403 1.00 0.00 H new ATOM 0 HA LYS A 5 3.069 -3.012 2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.713 -1.893 0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.794 -0.477 0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.232 -0.069 2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.011 -1.629 2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.919 -0.919 0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.161 0.649 0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.653 0.181 2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.707 -0.292 1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.908 2.074 2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.271 1.847 0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.250 2.305 1.779 1.00 0.00 H new ATOM 90 N THR A 6 0.625 -1.155 3.247 1.00 0.00 N ATOM 91 CA THR A 6 -0.012 -0.390 4.325 1.00 0.00 C ATOM 92 C THR A 6 -0.782 -1.309 5.271 1.00 0.00 C ATOM 93 O THR A 6 -0.524 -1.326 6.473 1.00 0.00 O ATOM 94 CB THR A 6 -0.968 0.647 3.729 1.00 0.00 C ATOM 95 OG1 THR A 6 -0.285 1.403 2.738 1.00 0.00 O ATOM 96 CG2 THR A 6 -1.466 1.584 4.831 1.00 0.00 C ATOM 0 H THR A 6 -0.019 -1.491 2.531 1.00 0.00 H new ATOM 0 HA THR A 6 0.771 0.112 4.894 1.00 0.00 H new ATOM 0 HB THR A 6 -1.819 0.137 3.279 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.896 2.066 2.354 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.146 2.320 4.403 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.990 1.005 5.591 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.617 2.095 5.285 1.00 0.00 H new ATOM 104 N LEU A 7 -1.734 -2.065 4.734 1.00 0.00 N ATOM 105 CA LEU A 7 -2.529 -2.966 5.567 1.00 0.00 C ATOM 106 C LEU A 7 -1.640 -4.017 6.231 1.00 0.00 C ATOM 107 O LEU A 7 -1.758 -4.274 7.430 1.00 0.00 O ATOM 108 CB LEU A 7 -3.602 -3.647 4.703 1.00 0.00 C ATOM 109 CG LEU A 7 -4.824 -2.726 4.547 1.00 0.00 C ATOM 110 CD1 LEU A 7 -5.581 -2.591 5.890 1.00 0.00 C ATOM 111 CD2 LEU A 7 -4.360 -1.343 4.065 1.00 0.00 C ATOM 0 H LEU A 7 -1.973 -2.074 3.742 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.011 -2.386 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.191 -3.887 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.904 -4.589 5.161 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.503 -3.161 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.442 -1.936 5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.920 -3.574 6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.915 -2.168 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.224 -0.688 3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.672 -0.915 4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.854 -1.443 3.105 1.00 0.00 H new ATOM 123 N LEU A 8 -0.743 -4.611 5.457 1.00 0.00 N ATOM 124 CA LEU A 8 0.164 -5.621 5.996 1.00 0.00 C ATOM 125 C LEU A 8 1.096 -4.998 7.030 1.00 0.00 C ATOM 126 O LEU A 8 1.411 -5.619 8.043 1.00 0.00 O ATOM 127 CB LEU A 8 0.979 -6.266 4.864 1.00 0.00 C ATOM 128 CG LEU A 8 1.563 -7.622 5.314 1.00 0.00 C ATOM 129 CD1 LEU A 8 1.998 -8.414 4.074 1.00 0.00 C ATOM 130 CD2 LEU A 8 2.773 -7.422 6.269 1.00 0.00 C ATOM 0 H LEU A 8 -0.622 -4.416 4.463 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.429 -6.396 6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.345 -6.410 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.787 -5.598 4.565 1.00 0.00 H new ATOM 0 HG LEU A 8 0.796 -8.173 5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.412 -9.374 4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.136 -8.581 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.755 -7.850 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.164 -8.394 6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.553 -6.860 5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.452 -6.871 7.153 1.00 0.00 H new ATOM 142 N ARG A 9 1.529 -3.771 6.775 1.00 0.00 N ATOM 143 CA ARG A 9 2.421 -3.083 7.700 1.00 0.00 C ATOM 144 C ARG A 9 1.800 -2.969 9.087 1.00 0.00 C ATOM 145 O ARG A 9 2.515 -2.988 10.090 1.00 0.00 O ATOM 146 CB ARG A 9 2.760 -1.692 7.173 1.00 0.00 C ATOM 147 CG ARG A 9 3.712 -0.991 8.147 1.00 0.00 C ATOM 148 CD ARG A 9 4.214 0.310 7.522 1.00 0.00 C ATOM 149 NE ARG A 9 3.096 1.220 7.291 1.00 0.00 N ATOM 150 CZ ARG A 9 2.619 1.990 8.263 1.00 0.00 C ATOM 151 NH1 ARG A 9 3.147 1.938 9.455 1.00 0.00 N ATOM 152 NH2 ARG A 9 1.623 2.800 8.025 1.00 0.00 N ATOM 0 H ARG A 9 1.280 -3.235 5.944 1.00 0.00 H new ATOM 0 HA ARG A 9 3.334 -3.672 7.780 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.222 -1.768 6.189 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.849 -1.105 7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.199 -0.782 9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.554 -1.643 8.382 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.945 0.780 8.180 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.721 0.098 6.581 1.00 0.00 H new ATOM 0 HE ARG A 9 2.672 1.266 6.364 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.926 1.306 9.641 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.781 2.529 10.201 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.211 2.842 7.093 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.257 3.391 8.771 1.00 0.00 H new ATOM 166 N VAL A 10 0.477 -2.848 9.154 1.00 0.00 N ATOM 167 CA VAL A 10 -0.203 -2.729 10.440 1.00 0.00 C ATOM 168 C VAL A 10 0.386 -3.688 11.474 1.00 0.00 C ATOM 169 O VAL A 10 0.501 -3.351 12.651 1.00 0.00 O ATOM 170 CB VAL A 10 -1.694 -3.029 10.260 1.00 0.00 C ATOM 171 CG1 VAL A 10 -2.405 -2.936 11.610 1.00 0.00 C ATOM 172 CG2 VAL A 10 -2.296 -2.005 9.297 1.00 0.00 C ATOM 0 H VAL A 10 -0.140 -2.830 8.342 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.065 -1.710 10.803 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.819 -4.034 9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.466 -3.150 11.478 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.972 -3.660 12.300 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.285 -1.931 12.016 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.358 -2.212 9.163 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.170 -1.003 9.706 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.790 -2.070 8.334 1.00 0.00 H new ATOM 182 N SER A 11 0.732 -4.893 11.039 1.00 0.00 N ATOM 183 CA SER A 11 1.277 -5.889 11.951 1.00 0.00 C ATOM 184 C SER A 11 2.576 -5.419 12.610 1.00 0.00 C ATOM 185 O SER A 11 2.706 -5.454 13.830 1.00 0.00 O ATOM 186 CB SER A 11 1.548 -7.181 11.181 1.00 0.00 C ATOM 187 OG SER A 11 2.407 -6.898 10.083 1.00 0.00 O ATOM 0 H SER A 11 0.646 -5.202 10.071 1.00 0.00 H new ATOM 0 HA SER A 11 0.542 -6.053 12.739 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.008 -7.920 11.837 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.611 -7.610 10.825 1.00 0.00 H new ATOM 0 HG SER A 11 1.874 -6.579 9.325 1.00 0.00 H new ATOM 193 N ILE A 12 3.542 -4.995 11.796 1.00 0.00 N ATOM 194 CA ILE A 12 4.834 -4.550 12.325 1.00 0.00 C ATOM 195 C ILE A 12 4.668 -3.329 13.237 1.00 0.00 C ATOM 196 O ILE A 12 5.143 -3.328 14.373 1.00 0.00 O ATOM 197 CB ILE A 12 5.778 -4.211 11.155 1.00 0.00 C ATOM 198 CG1 ILE A 12 6.315 -5.504 10.528 1.00 0.00 C ATOM 199 CG2 ILE A 12 6.964 -3.367 11.647 1.00 0.00 C ATOM 200 CD1 ILE A 12 5.154 -6.372 10.039 1.00 0.00 C ATOM 0 H ILE A 12 3.459 -4.950 10.780 1.00 0.00 H new ATOM 0 HA ILE A 12 5.261 -5.357 12.920 1.00 0.00 H new ATOM 0 HB ILE A 12 5.215 -3.644 10.414 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.977 -5.266 9.696 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.907 -6.054 11.260 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.620 -3.137 10.807 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.594 -2.439 12.083 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.520 -3.925 12.400 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.546 -7.287 9.596 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.508 -6.624 10.880 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.580 -5.824 9.292 1.00 0.00 H new ATOM 212 N ILE A 13 4.002 -2.294 12.739 1.00 0.00 N ATOM 213 CA ILE A 13 3.807 -1.082 13.530 1.00 0.00 C ATOM 214 C ILE A 13 2.906 -1.371 14.733 1.00 0.00 C ATOM 215 O ILE A 13 3.111 -0.837 15.822 1.00 0.00 O ATOM 216 CB ILE A 13 3.188 0.023 12.655 1.00 0.00 C ATOM 217 CG1 ILE A 13 3.380 1.403 13.327 1.00 0.00 C ATOM 218 CG2 ILE A 13 1.693 -0.254 12.457 1.00 0.00 C ATOM 219 CD1 ILE A 13 4.720 2.014 12.899 1.00 0.00 C ATOM 0 H ILE A 13 3.593 -2.267 11.805 1.00 0.00 H new ATOM 0 HA ILE A 13 4.776 -0.742 13.896 1.00 0.00 H new ATOM 0 HB ILE A 13 3.686 0.030 11.685 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.563 2.068 13.050 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.350 1.296 14.411 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.257 0.529 11.837 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.564 -1.219 11.967 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.194 -0.270 13.426 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.846 2.985 13.377 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.533 1.353 13.199 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.734 2.138 11.816 1.00 0.00 H new ATOM 231 N GLY A 14 1.897 -2.209 14.515 1.00 0.00 N ATOM 232 CA GLY A 14 0.962 -2.561 15.575 1.00 0.00 C ATOM 233 C GLY A 14 1.646 -3.400 16.651 1.00 0.00 C ATOM 234 O GLY A 14 1.301 -3.322 17.831 1.00 0.00 O ATOM 0 H GLY A 14 1.707 -2.655 13.617 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.554 -1.654 16.021 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.123 -3.115 15.155 1.00 0.00 H new ATOM 238 N THR A 15 2.603 -4.217 16.224 1.00 0.00 N ATOM 239 CA THR A 15 3.332 -5.094 17.139 1.00 0.00 C ATOM 240 C THR A 15 4.473 -4.347 17.822 1.00 0.00 C ATOM 241 O THR A 15 5.025 -4.812 18.819 1.00 0.00 O ATOM 242 CB THR A 15 3.901 -6.295 16.377 1.00 0.00 C ATOM 243 OG1 THR A 15 4.575 -5.847 15.210 1.00 0.00 O ATOM 244 CG2 THR A 15 2.765 -7.246 15.985 1.00 0.00 C ATOM 0 H THR A 15 2.894 -4.292 15.249 1.00 0.00 H new ATOM 0 HA THR A 15 2.632 -5.438 17.900 1.00 0.00 H new ATOM 0 HB THR A 15 4.606 -6.824 17.018 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.972 -5.909 14.440 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.175 -8.099 15.443 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.258 -7.597 16.884 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.053 -6.720 15.349 1.00 0.00 H new ATOM 252 N THR A 16 4.827 -3.187 17.275 1.00 0.00 N ATOM 253 CA THR A 16 5.910 -2.390 17.840 1.00 0.00 C ATOM 254 C THR A 16 5.533 -1.891 19.234 1.00 0.00 C ATOM 255 O THR A 16 6.200 -2.208 20.214 1.00 0.00 O ATOM 256 CB THR A 16 6.215 -1.193 16.923 1.00 0.00 C ATOM 257 OG1 THR A 16 6.867 -1.655 15.748 1.00 0.00 O ATOM 258 CG2 THR A 16 7.133 -0.182 17.637 1.00 0.00 C ATOM 0 H THR A 16 4.385 -2.782 16.450 1.00 0.00 H new ATOM 0 HA THR A 16 6.798 -3.017 17.920 1.00 0.00 H new ATOM 0 HB THR A 16 5.276 -0.702 16.668 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.240 -2.185 15.213 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.337 0.657 16.972 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.642 0.181 18.540 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.071 -0.668 17.905 1.00 0.00 H new ATOM 266 N LEU A 17 4.463 -1.111 19.317 1.00 0.00 N ATOM 267 CA LEU A 17 4.030 -0.573 20.601 1.00 0.00 C ATOM 268 C LEU A 17 3.717 -1.702 21.576 1.00 0.00 C ATOM 269 O LEU A 17 4.062 -1.624 22.755 1.00 0.00 O ATOM 270 CB LEU A 17 2.789 0.316 20.421 1.00 0.00 C ATOM 271 CG LEU A 17 1.725 -0.392 19.526 1.00 0.00 C ATOM 272 CD1 LEU A 17 0.400 -0.545 20.285 1.00 0.00 C ATOM 273 CD2 LEU A 17 1.466 0.430 18.255 1.00 0.00 C ATOM 0 H LEU A 17 3.885 -0.839 18.522 1.00 0.00 H new ATOM 0 HA LEU A 17 4.842 0.030 21.007 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.357 0.546 21.395 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.078 1.265 19.969 1.00 0.00 H new ATOM 0 HG LEU A 17 2.112 -1.376 19.260 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.330 -1.041 19.646 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.562 -1.142 21.182 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.026 0.439 20.567 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.722 -0.076 17.640 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.099 1.419 18.530 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.394 0.531 17.692 1.00 0.00 H new ATOM 285 N VAL A 18 3.062 -2.748 21.083 1.00 0.00 N ATOM 286 CA VAL A 18 2.708 -3.881 21.928 1.00 0.00 C ATOM 287 C VAL A 18 3.964 -4.551 22.484 1.00 0.00 C ATOM 288 O VAL A 18 4.036 -4.860 23.673 1.00 0.00 O ATOM 289 CB VAL A 18 1.898 -4.900 21.118 1.00 0.00 C ATOM 290 CG1 VAL A 18 1.680 -6.169 21.948 1.00 0.00 C ATOM 291 CG2 VAL A 18 0.537 -4.297 20.756 1.00 0.00 C ATOM 0 H VAL A 18 2.768 -2.834 20.110 1.00 0.00 H new ATOM 0 HA VAL A 18 2.107 -3.517 22.761 1.00 0.00 H new ATOM 0 HB VAL A 18 2.445 -5.151 20.209 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.104 -6.889 21.367 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.645 -6.603 22.210 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.136 -5.919 22.859 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.040 -5.021 20.180 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.004 -4.045 21.668 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.685 -3.395 20.162 1.00 0.00 H new ATOM 301 N ALA A 19 4.947 -4.779 21.617 1.00 0.00 N ATOM 302 CA ALA A 19 6.189 -5.420 22.041 1.00 0.00 C ATOM 303 C ALA A 19 6.872 -4.598 23.127 1.00 0.00 C ATOM 304 O ALA A 19 7.130 -5.085 24.226 1.00 0.00 O ATOM 305 CB ALA A 19 7.130 -5.558 20.842 1.00 0.00 C ATOM 0 H ALA A 19 4.910 -4.533 20.628 1.00 0.00 H new ATOM 0 HA ALA A 19 5.953 -6.406 22.442 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.056 -6.036 21.160 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.653 -6.166 20.073 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.352 -4.570 20.438 1.00 0.00 H new ATOM 311 N LEU A 20 7.158 -3.344 22.800 1.00 0.00 N ATOM 312 CA LEU A 20 7.812 -2.436 23.735 1.00 0.00 C ATOM 313 C LEU A 20 6.927 -2.185 24.956 1.00 0.00 C ATOM 314 O LEU A 20 7.430 -2.061 26.072 1.00 0.00 O ATOM 315 CB LEU A 20 8.146 -1.104 23.048 1.00 0.00 C ATOM 316 CG LEU A 20 9.452 -1.231 22.238 1.00 0.00 C ATOM 317 CD1 LEU A 20 10.672 -1.376 23.176 1.00 0.00 C ATOM 318 CD2 LEU A 20 9.363 -2.452 21.314 1.00 0.00 C ATOM 0 H LEU A 20 6.947 -2.931 21.892 1.00 0.00 H new ATOM 0 HA LEU A 20 8.739 -2.904 24.067 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.328 -0.812 22.389 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.249 -0.317 23.796 1.00 0.00 H new ATOM 0 HG LEU A 20 9.582 -0.326 21.644 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.581 -1.464 22.580 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.743 -0.499 23.819 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.554 -2.268 23.791 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.286 -2.543 20.741 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.218 -3.351 21.912 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.522 -2.331 20.631 1.00 0.00 H new ATOM 330 N SER A 21 5.614 -2.101 24.752 1.00 0.00 N ATOM 331 CA SER A 21 4.701 -1.854 25.863 1.00 0.00 C ATOM 332 C SER A 21 4.814 -2.958 26.906 1.00 0.00 C ATOM 333 O SER A 21 4.533 -2.746 28.076 1.00 0.00 O ATOM 334 CB SER A 21 3.266 -1.776 25.345 1.00 0.00 C ATOM 335 OG SER A 21 3.093 -0.551 24.645 1.00 0.00 O ATOM 0 H SER A 21 5.165 -2.199 23.842 1.00 0.00 H new ATOM 0 HA SER A 21 4.970 -0.907 26.330 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.057 -2.619 24.686 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.562 -1.838 26.175 1.00 0.00 H new ATOM 0 HG SER A 21 3.259 -0.694 23.690 1.00 0.00 H new ATOM 341 N SER A 22 5.209 -4.144 26.460 1.00 0.00 N ATOM 342 CA SER A 22 5.339 -5.293 27.357 1.00 0.00 C ATOM 343 C SER A 22 6.157 -4.936 28.599 1.00 0.00 C ATOM 344 O SER A 22 6.270 -5.744 29.522 1.00 0.00 O ATOM 345 CB SER A 22 6.005 -6.460 26.629 1.00 0.00 C ATOM 346 OG SER A 22 5.232 -6.813 25.490 1.00 0.00 O ATOM 0 H SER A 22 5.445 -4.338 25.487 1.00 0.00 H new ATOM 0 HA SER A 22 4.337 -5.583 27.672 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.015 -6.184 26.325 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.097 -7.315 27.299 1.00 0.00 H new ATOM 0 HG SER A 22 5.500 -6.258 24.728 1.00 0.00 H new ATOM 352 N PHE A 23 6.704 -3.721 28.637 1.00 0.00 N ATOM 353 CA PHE A 23 7.483 -3.265 29.794 1.00 0.00 C ATOM 354 C PHE A 23 6.733 -2.154 30.527 1.00 0.00 C ATOM 355 O PHE A 23 6.981 -1.899 31.706 1.00 0.00 O ATOM 356 CB PHE A 23 8.857 -2.771 29.327 1.00 0.00 C ATOM 357 CG PHE A 23 9.752 -3.962 29.067 1.00 0.00 C ATOM 358 CD1 PHE A 23 9.575 -4.727 27.908 1.00 0.00 C ATOM 359 CD2 PHE A 23 10.747 -4.307 29.989 1.00 0.00 C ATOM 360 CE1 PHE A 23 10.394 -5.838 27.671 1.00 0.00 C ATOM 361 CE2 PHE A 23 11.566 -5.418 29.751 1.00 0.00 C ATOM 362 CZ PHE A 23 11.389 -6.183 28.592 1.00 0.00 C ATOM 0 H PHE A 23 6.624 -3.036 27.885 1.00 0.00 H new ATOM 0 HA PHE A 23 7.624 -4.097 30.484 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.753 -2.174 28.421 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.301 -2.126 30.085 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.807 -4.460 27.197 1.00 0.00 H new ATOM 0 HD2 PHE A 23 10.883 -3.717 30.883 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.257 -6.429 26.777 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.334 -5.685 30.462 1.00 0.00 H new ATOM 0 HZ PHE A 23 12.021 -7.040 28.409 1.00 0.00 H new ATOM 372 N THR A 24 5.808 -1.499 29.830 1.00 0.00 N ATOM 373 CA THR A 24 5.024 -0.428 30.435 1.00 0.00 C ATOM 374 C THR A 24 4.523 -0.818 31.843 1.00 0.00 C ATOM 375 O THR A 24 4.791 -0.097 32.804 1.00 0.00 O ATOM 376 CB THR A 24 3.837 -0.051 29.518 1.00 0.00 C ATOM 377 OG1 THR A 24 4.280 0.852 28.513 1.00 0.00 O ATOM 378 CG2 THR A 24 2.714 0.615 30.325 1.00 0.00 C ATOM 0 H THR A 24 5.585 -1.690 28.853 1.00 0.00 H new ATOM 0 HA THR A 24 5.672 0.441 30.547 1.00 0.00 H new ATOM 0 HB THR A 24 3.453 -0.964 29.062 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.528 1.089 27.931 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.890 0.871 29.659 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.360 -0.073 31.092 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.094 1.521 30.798 1.00 0.00 H new ATOM 386 N PRO A 25 3.784 -1.908 31.996 1.00 0.00 N ATOM 387 CA PRO A 25 3.244 -2.321 33.329 1.00 0.00 C ATOM 388 C PRO A 25 4.353 -2.521 34.357 1.00 0.00 C ATOM 389 O PRO A 25 4.255 -2.051 35.484 1.00 0.00 O ATOM 390 CB PRO A 25 2.487 -3.635 33.042 1.00 0.00 C ATOM 391 CG PRO A 25 3.032 -4.119 31.740 1.00 0.00 C ATOM 392 CD PRO A 25 3.394 -2.865 30.952 1.00 0.00 C ATOM 0 HA PRO A 25 2.599 -1.558 33.764 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.650 -4.366 33.834 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.412 -3.466 32.981 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.907 -4.751 31.893 1.00 0.00 H new ATOM 0 HG3 PRO A 25 2.295 -4.718 31.205 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.209 -3.051 30.253 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.550 -2.500 30.367 1.00 0.00 H new ATOM 400 N VAL A 26 5.398 -3.237 33.973 1.00 0.00 N ATOM 401 CA VAL A 26 6.486 -3.503 34.898 1.00 0.00 C ATOM 402 C VAL A 26 6.910 -2.219 35.604 1.00 0.00 C ATOM 403 O VAL A 26 7.052 -2.203 36.827 1.00 0.00 O ATOM 404 CB VAL A 26 7.670 -4.095 34.137 1.00 0.00 C ATOM 405 CG1 VAL A 26 8.786 -4.453 35.113 1.00 0.00 C ATOM 406 CG2 VAL A 26 7.216 -5.351 33.390 1.00 0.00 C ATOM 0 H VAL A 26 5.515 -3.638 33.043 1.00 0.00 H new ATOM 0 HA VAL A 26 6.146 -4.215 35.650 1.00 0.00 H new ATOM 0 HB VAL A 26 8.044 -3.361 33.423 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.628 -4.875 34.564 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.110 -3.556 35.641 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.419 -5.185 35.833 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.060 -5.776 32.846 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.840 -6.083 34.104 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.425 -5.090 32.687 1.00 0.00 H new ATOM 416 N LEU A 27 7.130 -1.151 34.853 1.00 0.00 N ATOM 417 CA LEU A 27 7.538 0.104 35.468 1.00 0.00 C ATOM 418 C LEU A 27 6.350 0.782 36.164 1.00 0.00 C ATOM 419 O LEU A 27 6.451 1.181 37.323 1.00 0.00 O ATOM 420 CB LEU A 27 8.115 1.034 34.395 1.00 0.00 C ATOM 421 CG LEU A 27 8.786 2.263 35.046 1.00 0.00 C ATOM 422 CD1 LEU A 27 10.245 1.944 35.391 1.00 0.00 C ATOM 423 CD2 LEU A 27 8.750 3.447 34.070 1.00 0.00 C ATOM 0 H LEU A 27 7.036 -1.125 33.838 1.00 0.00 H new ATOM 0 HA LEU A 27 8.299 -0.106 36.219 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.843 0.493 33.790 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.321 1.360 33.723 1.00 0.00 H new ATOM 0 HG LEU A 27 8.245 2.518 35.957 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.710 2.817 35.850 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.279 1.106 36.088 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.785 1.681 34.481 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.224 4.313 34.531 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.285 3.183 33.158 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.715 3.687 33.827 1.00 0.00 H new ATOM 435 N VAL A 28 5.231 0.926 35.449 1.00 0.00 N ATOM 436 CA VAL A 28 4.045 1.581 36.017 1.00 0.00 C ATOM 437 C VAL A 28 3.516 0.825 37.241 1.00 0.00 C ATOM 438 O VAL A 28 3.283 1.423 38.291 1.00 0.00 O ATOM 439 CB VAL A 28 2.946 1.663 34.950 1.00 0.00 C ATOM 440 CG1 VAL A 28 1.636 2.152 35.578 1.00 0.00 C ATOM 441 CG2 VAL A 28 3.373 2.633 33.846 1.00 0.00 C ATOM 0 H VAL A 28 5.119 0.603 34.488 1.00 0.00 H new ATOM 0 HA VAL A 28 4.332 2.582 36.338 1.00 0.00 H new ATOM 0 HB VAL A 28 2.791 0.671 34.526 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.863 2.206 34.811 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.325 1.457 36.358 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.787 3.141 36.012 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.591 2.690 33.089 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.536 3.622 34.274 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.296 2.279 33.388 1.00 0.00 H new ATOM 451 N ILE A 29 3.342 -0.484 37.105 1.00 0.00 N ATOM 452 CA ILE A 29 2.850 -1.306 38.210 1.00 0.00 C ATOM 453 C ILE A 29 3.722 -1.114 39.450 1.00 0.00 C ATOM 454 O ILE A 29 3.236 -1.207 40.575 1.00 0.00 O ATOM 455 CB ILE A 29 2.812 -2.797 37.804 1.00 0.00 C ATOM 456 CG1 ILE A 29 1.803 -3.552 38.682 1.00 0.00 C ATOM 457 CG2 ILE A 29 4.201 -3.432 37.960 1.00 0.00 C ATOM 458 CD1 ILE A 29 1.793 -5.039 38.304 1.00 0.00 C ATOM 0 H ILE A 29 3.532 -1.000 36.246 1.00 0.00 H new ATOM 0 HA ILE A 29 1.835 -0.988 38.448 1.00 0.00 H new ATOM 0 HB ILE A 29 2.508 -2.863 36.759 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.065 -3.437 39.734 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.807 -3.128 38.553 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.156 -4.482 37.670 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.914 -2.909 37.322 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.521 -3.356 38.999 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.075 -5.569 38.930 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.510 -5.146 37.257 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.787 -5.460 38.456 1.00 0.00 H new ATOM 470 N LEU A 30 5.013 -0.875 39.233 1.00 0.00 N ATOM 471 CA LEU A 30 5.943 -0.705 40.345 1.00 0.00 C ATOM 472 C LEU A 30 5.474 0.438 41.249 1.00 0.00 C ATOM 473 O LEU A 30 5.593 0.367 42.472 1.00 0.00 O ATOM 474 CB LEU A 30 7.354 -0.406 39.798 1.00 0.00 C ATOM 475 CG LEU A 30 8.434 -0.987 40.735 1.00 0.00 C ATOM 476 CD1 LEU A 30 8.224 -0.462 42.163 1.00 0.00 C ATOM 477 CD2 LEU A 30 8.375 -2.535 40.727 1.00 0.00 C ATOM 0 H LEU A 30 5.435 -0.795 38.308 1.00 0.00 H new ATOM 0 HA LEU A 30 5.975 -1.623 40.931 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.462 -0.833 38.801 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.491 0.671 39.700 1.00 0.00 H new ATOM 0 HG LEU A 30 9.415 -0.672 40.379 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.990 -0.876 42.819 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.294 0.626 42.165 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.239 -0.763 42.520 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.142 -2.932 41.392 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.393 -2.863 41.068 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.548 -2.900 39.715 1.00 0.00 H new ATOM 489 N LEU A 31 4.936 1.487 40.643 1.00 0.00 N ATOM 490 CA LEU A 31 4.446 2.624 41.411 1.00 0.00 C ATOM 491 C LEU A 31 3.238 2.217 42.257 1.00 0.00 C ATOM 492 O LEU A 31 3.058 2.707 43.372 1.00 0.00 O ATOM 493 CB LEU A 31 4.065 3.777 40.466 1.00 0.00 C ATOM 494 CG LEU A 31 5.331 4.542 40.036 1.00 0.00 C ATOM 495 CD1 LEU A 31 5.951 5.298 41.235 1.00 0.00 C ATOM 496 CD2 LEU A 31 6.346 3.542 39.461 1.00 0.00 C ATOM 0 H LEU A 31 4.828 1.575 39.633 1.00 0.00 H new ATOM 0 HA LEU A 31 5.240 2.961 42.078 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.551 3.385 39.589 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.372 4.454 40.965 1.00 0.00 H new ATOM 0 HG LEU A 31 5.064 5.277 39.277 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.844 5.831 40.907 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.227 6.011 41.629 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.220 4.585 42.015 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.246 4.074 39.153 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.602 2.805 40.222 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.911 3.037 38.599 1.00 0.00 H new ATOM 508 N GLY A 32 2.398 1.339 41.709 1.00 0.00 N ATOM 509 CA GLY A 32 1.201 0.894 42.418 1.00 0.00 C ATOM 510 C GLY A 32 1.547 0.012 43.617 1.00 0.00 C ATOM 511 O GLY A 32 1.246 0.359 44.759 1.00 0.00 O ATOM 0 H GLY A 32 2.523 0.926 40.785 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.635 1.762 42.756 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.558 0.341 41.734 1.00 0.00 H new ATOM 515 N VAL A 33 2.173 -1.134 43.346 1.00 0.00 N ATOM 516 CA VAL A 33 2.544 -2.070 44.410 1.00 0.00 C ATOM 517 C VAL A 33 3.055 -1.316 45.635 1.00 0.00 C ATOM 518 O VAL A 33 2.805 -1.718 46.772 1.00 0.00 O ATOM 519 CB VAL A 33 3.624 -3.033 43.922 1.00 0.00 C ATOM 520 CG1 VAL A 33 3.045 -3.957 42.851 1.00 0.00 C ATOM 521 CG2 VAL A 33 4.772 -2.229 43.329 1.00 0.00 C ATOM 0 H VAL A 33 2.432 -1.436 42.407 1.00 0.00 H new ATOM 0 HA VAL A 33 1.654 -2.637 44.685 1.00 0.00 H new ATOM 0 HB VAL A 33 3.983 -3.634 44.757 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.819 -4.643 42.505 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.216 -4.527 43.271 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.687 -3.361 42.012 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.549 -2.908 42.978 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.405 -1.633 42.493 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.185 -1.569 44.091 1.00 0.00 H new ATOM 531 N VAL A 34 3.759 -0.209 45.393 1.00 0.00 N ATOM 532 CA VAL A 34 4.287 0.605 46.481 1.00 0.00 C ATOM 533 C VAL A 34 3.145 1.143 47.336 1.00 0.00 C ATOM 534 O VAL A 34 3.212 1.120 48.565 1.00 0.00 O ATOM 535 CB VAL A 34 5.109 1.772 45.908 1.00 0.00 C ATOM 536 CG1 VAL A 34 5.392 2.809 47.003 1.00 0.00 C ATOM 537 CG2 VAL A 34 6.438 1.241 45.362 1.00 0.00 C ATOM 0 H VAL A 34 3.974 0.140 44.459 1.00 0.00 H new ATOM 0 HA VAL A 34 4.932 -0.014 47.105 1.00 0.00 H new ATOM 0 HB VAL A 34 4.540 2.244 45.107 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.974 3.630 46.585 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.449 3.194 47.392 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.954 2.341 47.811 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.021 2.068 44.956 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.997 0.764 46.167 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.243 0.513 44.574 1.00 0.00 H new ATOM 547 N GLY A 35 2.101 1.629 46.679 1.00 0.00 N ATOM 548 CA GLY A 35 0.958 2.172 47.397 1.00 0.00 C ATOM 549 C GLY A 35 0.378 1.119 48.332 1.00 0.00 C ATOM 550 O GLY A 35 -0.175 1.445 49.382 1.00 0.00 O ATOM 0 H GLY A 35 2.022 1.658 45.662 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.261 3.049 47.968 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.197 2.500 46.689 1.00 0.00 H new ATOM 554 N LEU A 36 0.513 -0.143 47.940 1.00 0.00 N ATOM 555 CA LEU A 36 0.006 -1.243 48.748 1.00 0.00 C ATOM 556 C LEU A 36 0.717 -1.274 50.099 1.00 0.00 C ATOM 557 O LEU A 36 0.162 -1.746 51.092 1.00 0.00 O ATOM 558 CB LEU A 36 0.211 -2.583 48.020 1.00 0.00 C ATOM 559 CG LEU A 36 -0.775 -3.638 48.568 1.00 0.00 C ATOM 560 CD1 LEU A 36 -2.140 -3.512 47.864 1.00 0.00 C ATOM 561 CD2 LEU A 36 -0.206 -5.047 48.337 1.00 0.00 C ATOM 0 H LEU A 36 0.967 -0.428 47.072 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.061 -1.090 48.909 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.058 -2.452 46.949 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.237 -2.927 48.155 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.911 -3.469 49.636 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.824 -4.262 48.261 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.550 -2.517 48.040 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.013 -3.667 46.793 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.904 -5.789 48.725 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.059 -5.210 47.269 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.749 -5.143 48.853 1.00 0.00 H new ATOM 573 N SER A 37 1.948 -0.764 50.133 1.00 0.00 N ATOM 574 CA SER A 37 2.724 -0.737 51.368 1.00 0.00 C ATOM 575 C SER A 37 1.921 -0.069 52.476 1.00 0.00 C ATOM 576 O SER A 37 2.137 -0.317 53.655 1.00 0.00 O ATOM 577 CB SER A 37 4.023 0.035 51.150 1.00 0.00 C ATOM 578 OG SER A 37 4.667 -0.454 49.981 1.00 0.00 O ATOM 0 H SER A 37 2.425 -0.367 49.324 1.00 0.00 H new ATOM 0 HA SER A 37 2.955 -1.762 51.658 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.814 1.100 51.046 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.677 -0.079 52.015 1.00 0.00 H new ATOM 0 HG SER A 37 4.391 0.080 49.207 1.00 0.00 H new ATOM 584 N ALA A 38 0.989 0.780 52.084 1.00 0.00 N ATOM 585 CA ALA A 38 0.161 1.471 53.066 1.00 0.00 C ATOM 586 C ALA A 38 -0.325 0.464 54.113 1.00 0.00 C ATOM 587 O ALA A 38 -0.406 0.767 55.302 1.00 0.00 O ATOM 588 CB ALA A 38 -1.034 2.134 52.379 1.00 0.00 C ATOM 0 H ALA A 38 0.785 1.008 51.111 1.00 0.00 H new ATOM 0 HA ALA A 38 0.751 2.247 53.554 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.644 2.646 53.123 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.677 2.855 51.644 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.634 1.374 51.879 1.00 0.00 H new ATOM 594 N LEU A 39 -0.652 -0.735 53.639 1.00 0.00 N ATOM 595 CA LEU A 39 -1.134 -1.795 54.519 1.00 0.00 C ATOM 596 C LEU A 39 0.007 -2.410 55.346 1.00 0.00 C ATOM 597 O LEU A 39 -0.059 -2.436 56.575 1.00 0.00 O ATOM 598 CB LEU A 39 -1.823 -2.888 53.698 1.00 0.00 C ATOM 599 CG LEU A 39 -3.019 -2.298 52.938 1.00 0.00 C ATOM 600 CD1 LEU A 39 -3.621 -3.379 52.034 1.00 0.00 C ATOM 601 CD2 LEU A 39 -4.089 -1.796 53.927 1.00 0.00 C ATOM 0 H LEU A 39 -0.592 -0.996 52.655 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.849 -1.349 55.210 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.115 -3.327 52.995 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.159 -3.691 54.355 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.680 -1.456 52.335 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.471 -2.967 51.491 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.868 -3.720 51.324 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.953 -4.220 52.643 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.931 -1.381 53.373 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.434 -2.627 54.542 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.660 -1.025 54.567 1.00 0.00 H new ATOM 613 N THR A 40 1.044 -2.918 54.673 1.00 0.00 N ATOM 614 CA THR A 40 2.171 -3.543 55.379 1.00 0.00 C ATOM 615 C THR A 40 3.125 -2.497 55.953 1.00 0.00 C ATOM 616 O THR A 40 3.484 -2.546 57.131 1.00 0.00 O ATOM 617 CB THR A 40 2.938 -4.440 54.406 1.00 0.00 C ATOM 618 OG1 THR A 40 3.780 -3.636 53.592 1.00 0.00 O ATOM 619 CG2 THR A 40 1.945 -5.196 53.522 1.00 0.00 C ATOM 0 H THR A 40 1.129 -2.911 53.657 1.00 0.00 H new ATOM 0 HA THR A 40 1.770 -4.128 56.207 1.00 0.00 H new ATOM 0 HB THR A 40 3.543 -5.154 54.965 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.275 -4.208 52.968 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.490 -5.836 52.828 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.295 -5.809 54.147 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.341 -4.483 52.961 1.00 0.00 H new ATOM 627 N GLY A 41 3.516 -1.543 55.120 1.00 0.00 N ATOM 628 CA GLY A 41 4.416 -0.470 55.541 1.00 0.00 C ATOM 629 C GLY A 41 5.874 -0.813 55.240 1.00 0.00 C ATOM 630 O GLY A 41 6.599 -0.009 54.653 1.00 0.00 O ATOM 0 H GLY A 41 3.225 -1.487 54.144 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.146 0.454 55.031 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.296 -0.291 56.610 1.00 0.00 H new ATOM 634 N TYR A 42 6.302 -2.006 55.648 1.00 0.00 N ATOM 635 CA TYR A 42 7.682 -2.432 55.420 1.00 0.00 C ATOM 636 C TYR A 42 8.018 -2.386 53.928 1.00 0.00 C ATOM 637 O TYR A 42 7.594 -3.257 53.170 1.00 0.00 O ATOM 638 CB TYR A 42 7.869 -3.869 55.965 1.00 0.00 C ATOM 639 CG TYR A 42 8.391 -3.817 57.391 1.00 0.00 C ATOM 640 CD1 TYR A 42 7.654 -3.157 58.379 1.00 0.00 C ATOM 641 CD2 TYR A 42 9.620 -4.409 57.710 1.00 0.00 C ATOM 642 CE1 TYR A 42 8.143 -3.089 59.690 1.00 0.00 C ATOM 643 CE2 TYR A 42 10.110 -4.338 59.020 1.00 0.00 C ATOM 644 CZ TYR A 42 9.370 -3.679 60.011 1.00 0.00 C ATOM 645 OH TYR A 42 9.854 -3.611 61.301 1.00 0.00 O ATOM 0 H TYR A 42 5.720 -2.689 56.133 1.00 0.00 H new ATOM 0 HA TYR A 42 8.357 -1.754 55.942 1.00 0.00 H new ATOM 0 HB2 TYR A 42 6.920 -4.405 55.935 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.566 -4.419 55.333 1.00 0.00 H new ATOM 0 HD1 TYR A 42 6.708 -2.700 58.131 1.00 0.00 H new ATOM 0 HD2 TYR A 42 10.189 -4.919 56.947 1.00 0.00 H new ATOM 0 HE1 TYR A 42 7.572 -2.581 60.453 1.00 0.00 H new ATOM 0 HE2 TYR A 42 11.059 -4.791 59.267 1.00 0.00 H new ATOM 0 HH TYR A 42 10.717 -4.073 61.351 1.00 0.00 H new ATOM 655 N LEU A 43 8.774 -1.375 53.504 1.00 0.00 N ATOM 656 CA LEU A 43 9.146 -1.246 52.090 1.00 0.00 C ATOM 657 C LEU A 43 10.487 -1.933 51.841 1.00 0.00 C ATOM 658 O LEU A 43 11.257 -1.523 50.973 1.00 0.00 O ATOM 659 CB LEU A 43 9.229 0.235 51.700 1.00 0.00 C ATOM 660 CG LEU A 43 7.821 0.797 51.446 1.00 0.00 C ATOM 661 CD1 LEU A 43 7.849 2.325 51.580 1.00 0.00 C ATOM 662 CD2 LEU A 43 7.343 0.421 50.035 1.00 0.00 C ATOM 0 H LEU A 43 9.139 -0.639 54.109 1.00 0.00 H new ATOM 0 HA LEU A 43 8.384 -1.727 51.477 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.717 0.801 52.494 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.841 0.349 50.805 1.00 0.00 H new ATOM 0 HG LEU A 43 7.135 0.372 52.179 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.851 2.724 51.400 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.173 2.596 52.585 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.543 2.742 50.850 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.345 0.826 49.869 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.029 0.834 49.296 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.315 -0.664 49.937 1.00 0.00 H new ATOM 674 N ASP A 44 10.757 -2.974 52.619 1.00 0.00 N ATOM 675 CA ASP A 44 12.009 -3.714 52.488 1.00 0.00 C ATOM 676 C ASP A 44 11.921 -4.756 51.373 1.00 0.00 C ATOM 677 O ASP A 44 12.936 -5.146 50.798 1.00 0.00 O ATOM 678 CB ASP A 44 12.349 -4.406 53.810 1.00 0.00 C ATOM 679 CG ASP A 44 12.368 -3.387 54.943 1.00 0.00 C ATOM 680 OD1 ASP A 44 11.737 -2.353 54.795 1.00 0.00 O ATOM 681 OD2 ASP A 44 13.019 -3.653 55.941 1.00 0.00 O ATOM 0 H ASP A 44 10.131 -3.325 53.344 1.00 0.00 H new ATOM 0 HA ASP A 44 12.795 -3.003 52.234 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.615 -5.184 54.022 1.00 0.00 H new ATOM 0 HB3 ASP A 44 13.320 -4.896 53.734 1.00 0.00 H new ATOM 686 N TYR A 45 10.700 -5.205 51.073 1.00 0.00 N ATOM 687 CA TYR A 45 10.481 -6.211 50.027 1.00 0.00 C ATOM 688 C TYR A 45 9.932 -5.566 48.753 1.00 0.00 C ATOM 689 O TYR A 45 9.062 -6.129 48.088 1.00 0.00 O ATOM 690 CB TYR A 45 9.502 -7.284 50.540 1.00 0.00 C ATOM 691 CG TYR A 45 8.073 -6.774 50.476 1.00 0.00 C ATOM 692 CD1 TYR A 45 7.642 -5.774 51.355 1.00 0.00 C ATOM 693 CD2 TYR A 45 7.190 -7.298 49.524 1.00 0.00 C ATOM 694 CE1 TYR A 45 6.328 -5.298 51.283 1.00 0.00 C ATOM 695 CE2 TYR A 45 5.875 -6.822 49.453 1.00 0.00 C ATOM 696 CZ TYR A 45 5.444 -5.821 50.332 1.00 0.00 C ATOM 697 OH TYR A 45 4.149 -5.352 50.261 1.00 0.00 O ATOM 0 H TYR A 45 9.848 -4.890 51.538 1.00 0.00 H new ATOM 0 HA TYR A 45 11.437 -6.675 49.786 1.00 0.00 H new ATOM 0 HB2 TYR A 45 9.599 -8.189 49.941 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.753 -7.553 51.566 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.323 -5.370 52.089 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.523 -8.069 48.845 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.996 -4.526 51.962 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.193 -7.227 48.720 1.00 0.00 H new ATOM 0 HH TYR A 45 3.670 -5.821 49.546 1.00 0.00 H new ATOM 707 N VAL A 46 10.431 -4.376 48.422 1.00 0.00 N ATOM 708 CA VAL A 46 9.970 -3.663 47.226 1.00 0.00 C ATOM 709 C VAL A 46 11.124 -2.941 46.538 1.00 0.00 C ATOM 710 O VAL A 46 11.066 -2.663 45.340 1.00 0.00 O ATOM 711 CB VAL A 46 8.888 -2.649 47.613 1.00 0.00 C ATOM 712 CG1 VAL A 46 8.114 -2.217 46.363 1.00 0.00 C ATOM 713 CG2 VAL A 46 7.922 -3.294 48.610 1.00 0.00 C ATOM 0 H VAL A 46 11.148 -3.887 48.958 1.00 0.00 H new ATOM 0 HA VAL A 46 9.559 -4.395 46.531 1.00 0.00 H new ATOM 0 HB VAL A 46 9.357 -1.776 48.067 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.346 -1.496 46.642 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.800 -1.759 45.651 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.645 -3.088 45.906 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.151 -2.575 48.887 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.456 -4.167 48.153 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.470 -3.600 49.501 1.00 0.00 H new ATOM 723 N LEU A 47 12.167 -2.629 47.300 1.00 0.00 N ATOM 724 CA LEU A 47 13.327 -1.931 46.744 1.00 0.00 C ATOM 725 C LEU A 47 14.306 -2.927 46.118 1.00 0.00 C ATOM 726 O LEU A 47 14.721 -2.771 44.969 1.00 0.00 O ATOM 727 CB LEU A 47 14.018 -1.113 47.854 1.00 0.00 C ATOM 728 CG LEU A 47 14.656 0.165 47.270 1.00 0.00 C ATOM 729 CD1 LEU A 47 15.619 -0.219 46.138 1.00 0.00 C ATOM 730 CD2 LEU A 47 13.558 1.124 46.737 1.00 0.00 C ATOM 0 H LEU A 47 12.236 -2.844 48.295 1.00 0.00 H new ATOM 0 HA LEU A 47 12.992 -1.252 45.960 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.292 -0.845 48.621 1.00 0.00 H new ATOM 0 HB3 LEU A 47 14.784 -1.720 48.337 1.00 0.00 H new ATOM 0 HG LEU A 47 15.208 0.680 48.056 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.071 0.682 45.724 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.401 -0.870 46.530 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.070 -0.742 45.355 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.025 2.020 46.329 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.987 0.624 45.955 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.891 1.402 47.553 1.00 0.00 H new ATOM 742 N LEU A 48 14.658 -3.954 46.883 1.00 0.00 N ATOM 743 CA LEU A 48 15.580 -4.983 46.412 1.00 0.00 C ATOM 744 C LEU A 48 15.015 -5.741 45.193 1.00 0.00 C ATOM 745 O LEU A 48 15.686 -5.839 44.166 1.00 0.00 O ATOM 746 CB LEU A 48 15.891 -5.981 47.565 1.00 0.00 C ATOM 747 CG LEU A 48 17.382 -5.939 47.950 1.00 0.00 C ATOM 748 CD1 LEU A 48 17.680 -4.665 48.757 1.00 0.00 C ATOM 749 CD2 LEU A 48 17.723 -7.173 48.794 1.00 0.00 C ATOM 0 H LEU A 48 14.319 -4.097 47.834 1.00 0.00 H new ATOM 0 HA LEU A 48 16.500 -4.490 46.097 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.281 -5.738 48.435 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.620 -6.991 47.258 1.00 0.00 H new ATOM 0 HG LEU A 48 17.988 -5.935 47.044 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.736 -4.643 49.025 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.440 -3.789 48.155 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.075 -4.659 49.664 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.778 -7.146 49.068 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.113 -7.176 49.697 1.00 0.00 H new ATOM 0 HD23 LEU A 48 17.521 -8.076 48.217 1.00 0.00 H new ATOM 761 N PRO A 49 13.827 -6.301 45.288 1.00 0.00 N ATOM 762 CA PRO A 49 13.221 -7.083 44.161 1.00 0.00 C ATOM 763 C PRO A 49 12.968 -6.228 42.918 1.00 0.00 C ATOM 764 O PRO A 49 12.868 -6.753 41.808 1.00 0.00 O ATOM 765 CB PRO A 49 11.905 -7.622 44.751 1.00 0.00 C ATOM 766 CG PRO A 49 11.589 -6.709 45.887 1.00 0.00 C ATOM 767 CD PRO A 49 12.931 -6.259 46.458 1.00 0.00 C ATOM 0 HA PRO A 49 13.887 -7.872 43.813 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.108 -7.617 44.007 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.017 -8.651 45.091 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.004 -5.854 45.548 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.996 -7.221 46.645 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.872 -5.257 46.884 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.274 -6.923 47.252 1.00 0.00 H new ATOM 775 N ALA A 50 12.865 -4.917 43.104 1.00 0.00 N ATOM 776 CA ALA A 50 12.625 -4.015 41.983 1.00 0.00 C ATOM 777 C ALA A 50 13.807 -4.023 41.020 1.00 0.00 C ATOM 778 O ALA A 50 13.648 -3.825 39.815 1.00 0.00 O ATOM 779 CB ALA A 50 12.386 -2.596 42.499 1.00 0.00 C ATOM 0 H ALA A 50 12.943 -4.458 44.011 1.00 0.00 H new ATOM 0 HA ALA A 50 11.740 -4.359 41.447 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.207 -1.928 41.657 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.517 -2.590 43.158 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.262 -2.257 43.051 1.00 0.00 H new ATOM 785 N LEU A 51 14.998 -4.235 41.572 1.00 0.00 N ATOM 786 CA LEU A 51 16.222 -4.246 40.777 1.00 0.00 C ATOM 787 C LEU A 51 16.138 -5.292 39.668 1.00 0.00 C ATOM 788 O LEU A 51 16.768 -5.143 38.623 1.00 0.00 O ATOM 789 CB LEU A 51 17.422 -4.562 41.674 1.00 0.00 C ATOM 790 CG LEU A 51 17.552 -3.507 42.782 1.00 0.00 C ATOM 791 CD1 LEU A 51 18.622 -3.959 43.779 1.00 0.00 C ATOM 792 CD2 LEU A 51 17.953 -2.147 42.187 1.00 0.00 C ATOM 0 H LEU A 51 15.142 -4.402 42.568 1.00 0.00 H new ATOM 0 HA LEU A 51 16.344 -3.261 40.327 1.00 0.00 H new ATOM 0 HB2 LEU A 51 17.303 -5.551 42.116 1.00 0.00 H new ATOM 0 HB3 LEU A 51 18.334 -4.587 41.077 1.00 0.00 H new ATOM 0 HG LEU A 51 16.591 -3.399 43.284 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.720 -3.215 44.569 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.332 -4.915 44.215 1.00 0.00 H new ATOM 0 HD13 LEU A 51 19.576 -4.069 43.264 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.040 -1.412 42.987 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.911 -2.242 41.675 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.193 -1.822 41.477 1.00 0.00 H new ATOM 804 N ALA A 52 15.353 -6.339 39.891 1.00 0.00 N ATOM 805 CA ALA A 52 15.199 -7.389 38.888 1.00 0.00 C ATOM 806 C ALA A 52 14.766 -6.784 37.557 1.00 0.00 C ATOM 807 O ALA A 52 15.128 -7.276 36.488 1.00 0.00 O ATOM 808 CB ALA A 52 14.152 -8.401 39.354 1.00 0.00 C ATOM 0 H ALA A 52 14.818 -6.485 40.747 1.00 0.00 H new ATOM 0 HA ALA A 52 16.157 -7.893 38.756 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.041 -9.182 38.602 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.471 -8.847 40.296 1.00 0.00 H new ATOM 0 HB3 ALA A 52 13.196 -7.896 39.497 1.00 0.00 H new ATOM 814 N ILE A 53 13.991 -5.710 37.637 1.00 0.00 N ATOM 815 CA ILE A 53 13.512 -5.035 36.438 1.00 0.00 C ATOM 816 C ILE A 53 14.689 -4.482 35.636 1.00 0.00 C ATOM 817 O ILE A 53 14.743 -4.636 34.418 1.00 0.00 O ATOM 818 CB ILE A 53 12.573 -3.893 36.824 1.00 0.00 C ATOM 819 CG1 ILE A 53 11.309 -4.474 37.460 1.00 0.00 C ATOM 820 CG2 ILE A 53 12.191 -3.095 35.572 1.00 0.00 C ATOM 821 CD1 ILE A 53 10.477 -3.344 38.063 1.00 0.00 C ATOM 0 H ILE A 53 13.682 -5.290 38.514 1.00 0.00 H new ATOM 0 HA ILE A 53 12.972 -5.755 35.824 1.00 0.00 H new ATOM 0 HB ILE A 53 13.074 -3.234 37.534 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.726 -5.010 36.711 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.576 -5.195 38.232 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.521 -2.281 35.850 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.091 -2.684 35.114 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.689 -3.751 34.861 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.576 -3.757 38.516 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.062 -2.828 38.824 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.198 -2.639 37.279 1.00 0.00 H new ATOM 833 N PHE A 54 15.634 -3.858 36.323 1.00 0.00 N ATOM 834 CA PHE A 54 16.806 -3.303 35.650 1.00 0.00 C ATOM 835 C PHE A 54 17.574 -4.418 34.941 1.00 0.00 C ATOM 836 O PHE A 54 18.045 -4.233 33.818 1.00 0.00 O ATOM 837 CB PHE A 54 17.708 -2.572 36.677 1.00 0.00 C ATOM 838 CG PHE A 54 17.964 -1.142 36.247 1.00 0.00 C ATOM 839 CD1 PHE A 54 18.997 -0.860 35.346 1.00 0.00 C ATOM 840 CD2 PHE A 54 17.172 -0.104 36.752 1.00 0.00 C ATOM 841 CE1 PHE A 54 19.236 0.461 34.948 1.00 0.00 C ATOM 842 CE2 PHE A 54 17.412 1.216 36.355 1.00 0.00 C ATOM 843 CZ PHE A 54 18.444 1.499 35.452 1.00 0.00 C ATOM 0 H PHE A 54 15.617 -3.722 37.334 1.00 0.00 H new ATOM 0 HA PHE A 54 16.485 -2.579 34.901 1.00 0.00 H new ATOM 0 HB2 PHE A 54 17.232 -2.582 37.658 1.00 0.00 H new ATOM 0 HB3 PHE A 54 18.655 -3.101 36.777 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.609 -1.661 34.958 1.00 0.00 H new ATOM 0 HD2 PHE A 54 16.376 -0.322 37.448 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.032 0.679 34.252 1.00 0.00 H new ATOM 0 HE2 PHE A 54 16.801 2.017 36.745 1.00 0.00 H new ATOM 0 HZ PHE A 54 18.629 2.518 35.145 1.00 0.00 H new ATOM 853 N ILE A 55 17.694 -5.564 35.587 1.00 0.00 N ATOM 854 CA ILE A 55 18.404 -6.687 34.994 1.00 0.00 C ATOM 855 C ILE A 55 17.692 -7.141 33.719 1.00 0.00 C ATOM 856 O ILE A 55 18.337 -7.477 32.726 1.00 0.00 O ATOM 857 CB ILE A 55 18.494 -7.848 35.992 1.00 0.00 C ATOM 858 CG1 ILE A 55 19.048 -7.337 37.332 1.00 0.00 C ATOM 859 CG2 ILE A 55 19.424 -8.929 35.439 1.00 0.00 C ATOM 860 CD1 ILE A 55 20.363 -6.578 37.123 1.00 0.00 C ATOM 0 H ILE A 55 17.313 -5.743 36.516 1.00 0.00 H new ATOM 0 HA ILE A 55 19.415 -6.368 34.740 1.00 0.00 H new ATOM 0 HB ILE A 55 17.499 -8.266 36.146 1.00 0.00 H new ATOM 0 HG12 ILE A 55 18.317 -6.683 37.807 1.00 0.00 H new ATOM 0 HG13 ILE A 55 19.211 -8.177 38.007 1.00 0.00 H new ATOM 0 HG21 ILE A 55 19.487 -9.753 36.149 1.00 0.00 H new ATOM 0 HG22 ILE A 55 19.032 -9.296 34.491 1.00 0.00 H new ATOM 0 HG23 ILE A 55 20.417 -8.509 35.282 1.00 0.00 H new ATOM 0 HD11 ILE A 55 20.737 -6.226 38.084 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.098 -7.242 36.669 1.00 0.00 H new ATOM 0 HD13 ILE A 55 20.191 -5.725 36.466 1.00 0.00 H new ATOM 872 N GLY A 56 16.362 -7.157 33.753 1.00 0.00 N ATOM 873 CA GLY A 56 15.580 -7.574 32.590 1.00 0.00 C ATOM 874 C GLY A 56 15.789 -6.626 31.405 1.00 0.00 C ATOM 875 O GLY A 56 15.819 -7.056 30.255 1.00 0.00 O ATOM 0 H GLY A 56 15.806 -6.889 34.565 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.865 -8.586 32.302 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.522 -7.603 32.852 1.00 0.00 H new ATOM 879 N LEU A 57 15.925 -5.333 31.685 1.00 0.00 N ATOM 880 CA LEU A 57 16.131 -4.353 30.616 1.00 0.00 C ATOM 881 C LEU A 57 17.485 -4.574 29.931 1.00 0.00 C ATOM 882 O LEU A 57 17.604 -4.444 28.712 1.00 0.00 O ATOM 883 CB LEU A 57 16.041 -2.916 31.182 1.00 0.00 C ATOM 884 CG LEU A 57 14.596 -2.389 31.122 1.00 0.00 C ATOM 885 CD1 LEU A 57 13.721 -3.126 32.133 1.00 0.00 C ATOM 886 CD2 LEU A 57 14.588 -0.894 31.447 1.00 0.00 C ATOM 0 H LEU A 57 15.897 -4.941 32.626 1.00 0.00 H new ATOM 0 HA LEU A 57 15.346 -4.486 29.871 1.00 0.00 H new ATOM 0 HB2 LEU A 57 16.393 -2.905 32.213 1.00 0.00 H new ATOM 0 HB3 LEU A 57 16.697 -2.256 30.614 1.00 0.00 H new ATOM 0 HG LEU A 57 14.201 -2.556 30.120 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.702 -2.743 32.080 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.721 -4.192 31.905 1.00 0.00 H new ATOM 0 HD13 LEU A 57 14.115 -2.970 33.137 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.566 -0.518 31.405 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.992 -0.737 32.447 1.00 0.00 H new ATOM 0 HD23 LEU A 57 15.201 -0.360 30.720 1.00 0.00 H new ATOM 898 N THR A 58 18.500 -4.894 30.726 1.00 0.00 N ATOM 899 CA THR A 58 19.843 -5.115 30.191 1.00 0.00 C ATOM 900 C THR A 58 19.883 -6.330 29.264 1.00 0.00 C ATOM 901 O THR A 58 20.362 -6.237 28.133 1.00 0.00 O ATOM 902 CB THR A 58 20.835 -5.318 31.340 1.00 0.00 C ATOM 903 OG1 THR A 58 20.317 -6.287 32.240 1.00 0.00 O ATOM 904 CG2 THR A 58 21.049 -3.998 32.082 1.00 0.00 C ATOM 0 H THR A 58 18.422 -5.006 31.737 1.00 0.00 H new ATOM 0 HA THR A 58 20.120 -4.234 29.612 1.00 0.00 H new ATOM 0 HB THR A 58 21.788 -5.660 30.937 1.00 0.00 H new ATOM 0 HG1 THR A 58 19.348 -6.363 32.117 1.00 0.00 H new ATOM 0 HG21 THR A 58 21.756 -4.150 32.898 1.00 0.00 H new ATOM 0 HG22 THR A 58 21.446 -3.253 31.392 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.098 -3.649 32.485 1.00 0.00 H new ATOM 912 N ILE A 59 19.384 -7.464 29.740 1.00 0.00 N ATOM 913 CA ILE A 59 19.381 -8.681 28.931 1.00 0.00 C ATOM 914 C ILE A 59 18.392 -8.553 27.774 1.00 0.00 C ATOM 915 O ILE A 59 18.675 -8.958 26.647 1.00 0.00 O ATOM 916 CB ILE A 59 19.025 -9.892 29.809 1.00 0.00 C ATOM 917 CG1 ILE A 59 17.675 -9.657 30.542 1.00 0.00 C ATOM 918 CG2 ILE A 59 20.147 -10.097 30.835 1.00 0.00 C ATOM 919 CD1 ILE A 59 16.540 -10.399 29.823 1.00 0.00 C ATOM 0 H ILE A 59 18.980 -7.569 30.671 1.00 0.00 H new ATOM 0 HA ILE A 59 20.377 -8.828 28.514 1.00 0.00 H new ATOM 0 HB ILE A 59 18.921 -10.778 29.182 1.00 0.00 H new ATOM 0 HG12 ILE A 59 17.749 -10.003 31.573 1.00 0.00 H new ATOM 0 HG13 ILE A 59 17.455 -8.590 30.579 1.00 0.00 H new ATOM 0 HG21 ILE A 59 19.910 -10.953 31.467 1.00 0.00 H new ATOM 0 HG22 ILE A 59 21.087 -10.279 30.314 1.00 0.00 H new ATOM 0 HG23 ILE A 59 20.242 -9.205 31.454 1.00 0.00 H new ATOM 0 HD11 ILE A 59 15.601 -10.225 30.348 1.00 0.00 H new ATOM 0 HD12 ILE A 59 16.457 -10.033 28.800 1.00 0.00 H new ATOM 0 HD13 ILE A 59 16.755 -11.467 29.809 1.00 0.00 H new ATOM 931 N TYR A 60 17.226 -7.988 28.069 1.00 0.00 N ATOM 932 CA TYR A 60 16.180 -7.804 27.065 1.00 0.00 C ATOM 933 C TYR A 60 16.707 -7.062 25.835 1.00 0.00 C ATOM 934 O TYR A 60 16.261 -7.318 24.717 1.00 0.00 O ATOM 935 CB TYR A 60 14.994 -7.034 27.662 1.00 0.00 C ATOM 936 CG TYR A 60 14.011 -6.678 26.564 1.00 0.00 C ATOM 937 CD1 TYR A 60 13.119 -7.642 26.077 1.00 0.00 C ATOM 938 CD2 TYR A 60 14.005 -5.385 26.030 1.00 0.00 C ATOM 939 CE1 TYR A 60 12.221 -7.311 25.055 1.00 0.00 C ATOM 940 CE2 TYR A 60 13.108 -5.054 25.008 1.00 0.00 C ATOM 941 CZ TYR A 60 12.215 -6.016 24.520 1.00 0.00 C ATOM 942 OH TYR A 60 11.330 -5.690 23.514 1.00 0.00 O ATOM 0 H TYR A 60 16.979 -7.648 28.998 1.00 0.00 H new ATOM 0 HA TYR A 60 15.849 -8.794 26.752 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.501 -7.639 28.423 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.347 -6.128 28.155 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.124 -8.640 26.490 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.693 -4.642 26.406 1.00 0.00 H new ATOM 0 HE1 TYR A 60 11.533 -8.054 24.679 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.104 -4.056 24.595 1.00 0.00 H new ATOM 0 HH TYR A 60 11.284 -4.715 23.422 1.00 0.00 H new ATOM 952 N ALA A 61 17.637 -6.136 26.038 1.00 0.00 N ATOM 953 CA ALA A 61 18.190 -5.364 24.929 1.00 0.00 C ATOM 954 C ALA A 61 18.759 -6.275 23.848 1.00 0.00 C ATOM 955 O ALA A 61 18.760 -5.925 22.668 1.00 0.00 O ATOM 956 CB ALA A 61 19.295 -4.447 25.452 1.00 0.00 C ATOM 0 H ALA A 61 18.022 -5.902 26.953 1.00 0.00 H new ATOM 0 HA ALA A 61 17.386 -4.774 24.489 1.00 0.00 H new ATOM 0 HB1 ALA A 61 19.710 -3.869 24.626 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.882 -3.768 26.198 1.00 0.00 H new ATOM 0 HB3 ALA A 61 20.083 -5.049 25.906 1.00 0.00 H new ATOM 962 N ILE A 62 19.248 -7.441 24.253 1.00 0.00 N ATOM 963 CA ILE A 62 19.822 -8.394 23.312 1.00 0.00 C ATOM 964 C ILE A 62 18.728 -9.019 22.441 1.00 0.00 C ATOM 965 O ILE A 62 18.974 -9.389 21.293 1.00 0.00 O ATOM 966 CB ILE A 62 20.577 -9.496 24.080 1.00 0.00 C ATOM 967 CG1 ILE A 62 21.908 -8.938 24.601 1.00 0.00 C ATOM 968 CG2 ILE A 62 20.863 -10.687 23.151 1.00 0.00 C ATOM 969 CD1 ILE A 62 21.647 -7.786 25.578 1.00 0.00 C ATOM 0 H ILE A 62 19.258 -7.749 25.225 1.00 0.00 H new ATOM 0 HA ILE A 62 20.519 -7.865 22.663 1.00 0.00 H new ATOM 0 HB ILE A 62 19.960 -9.829 24.915 1.00 0.00 H new ATOM 0 HG12 ILE A 62 22.473 -9.727 25.098 1.00 0.00 H new ATOM 0 HG13 ILE A 62 22.516 -8.588 23.767 1.00 0.00 H new ATOM 0 HG21 ILE A 62 21.397 -11.460 23.704 1.00 0.00 H new ATOM 0 HG22 ILE A 62 19.922 -11.092 22.778 1.00 0.00 H new ATOM 0 HG23 ILE A 62 21.473 -10.355 22.311 1.00 0.00 H new ATOM 0 HD11 ILE A 62 22.597 -7.396 25.943 1.00 0.00 H new ATOM 0 HD12 ILE A 62 21.101 -6.993 25.068 1.00 0.00 H new ATOM 0 HD13 ILE A 62 21.057 -8.149 26.419 1.00 0.00 H new ATOM 981 N GLN A 63 17.530 -9.149 23.005 1.00 0.00 N ATOM 982 CA GLN A 63 16.415 -9.747 22.279 1.00 0.00 C ATOM 983 C GLN A 63 15.970 -8.867 21.115 1.00 0.00 C ATOM 984 O GLN A 63 15.772 -9.345 19.999 1.00 0.00 O ATOM 985 CB GLN A 63 15.232 -9.953 23.227 1.00 0.00 C ATOM 986 CG GLN A 63 15.603 -11.000 24.280 1.00 0.00 C ATOM 987 CD GLN A 63 14.439 -11.208 25.243 1.00 0.00 C ATOM 988 OE1 GLN A 63 13.330 -10.734 24.992 1.00 0.00 O ATOM 989 NE2 GLN A 63 14.626 -11.893 26.338 1.00 0.00 N ATOM 0 H GLN A 63 17.308 -8.851 23.955 1.00 0.00 H new ATOM 0 HA GLN A 63 16.753 -10.704 21.881 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.970 -9.012 23.710 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.355 -10.278 22.667 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.856 -11.942 23.794 1.00 0.00 H new ATOM 0 HG3 GLN A 63 16.487 -10.677 24.830 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.545 -12.285 26.544 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.853 -12.037 26.988 1.00 0.00 H new ATOM 998 N ARG A 64 15.832 -7.575 21.390 1.00 0.00 N ATOM 999 CA ARG A 64 15.423 -6.607 20.381 1.00 0.00 C ATOM 1000 C ARG A 64 16.577 -6.278 19.441 1.00 0.00 C ATOM 1001 O ARG A 64 16.367 -5.785 18.333 1.00 0.00 O ATOM 1002 CB ARG A 64 14.893 -5.326 21.050 1.00 0.00 C ATOM 1003 CG ARG A 64 13.449 -5.544 21.546 1.00 0.00 C ATOM 1004 CD ARG A 64 12.449 -5.265 20.415 1.00 0.00 C ATOM 1005 NE ARG A 64 12.551 -3.877 19.985 1.00 0.00 N ATOM 1006 CZ ARG A 64 11.904 -3.440 18.909 1.00 0.00 C ATOM 1007 NH1 ARG A 64 11.158 -4.259 18.219 1.00 0.00 N ATOM 1008 NH2 ARG A 64 12.014 -2.193 18.543 1.00 0.00 N ATOM 0 H ARG A 64 15.999 -7.172 22.312 1.00 0.00 H new ATOM 0 HA ARG A 64 14.621 -7.051 19.791 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.535 -5.051 21.887 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.921 -4.498 20.341 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.330 -6.568 21.901 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.245 -4.887 22.392 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.646 -5.929 19.574 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.435 -5.474 20.756 1.00 0.00 H new ATOM 0 HE ARG A 64 13.129 -3.229 20.519 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.071 -5.234 18.505 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.661 -3.924 17.393 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.597 -1.553 19.082 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.517 -1.858 17.717 1.00 0.00 H new ATOM 1022 N LYS A 65 17.800 -6.500 19.908 1.00 0.00 N ATOM 1023 CA LYS A 65 18.972 -6.163 19.113 1.00 0.00 C ATOM 1024 C LYS A 65 18.832 -6.717 17.697 1.00 0.00 C ATOM 1025 O LYS A 65 19.045 -5.986 16.730 1.00 0.00 O ATOM 1026 CB LYS A 65 20.225 -6.761 19.773 1.00 0.00 C ATOM 1027 CG LYS A 65 21.506 -6.356 19.016 1.00 0.00 C ATOM 1028 CD LYS A 65 21.884 -4.904 19.339 1.00 0.00 C ATOM 1029 CE LYS A 65 23.285 -4.614 18.800 1.00 0.00 C ATOM 1030 NZ LYS A 65 24.296 -5.343 19.616 1.00 0.00 N ATOM 0 H LYS A 65 18.004 -6.907 20.821 1.00 0.00 H new ATOM 0 HA LYS A 65 19.062 -5.078 19.060 1.00 0.00 H new ATOM 0 HB2 LYS A 65 20.290 -6.424 20.807 1.00 0.00 H new ATOM 0 HB3 LYS A 65 20.142 -7.848 19.797 1.00 0.00 H new ATOM 0 HG2 LYS A 65 22.324 -7.021 19.292 1.00 0.00 H new ATOM 0 HG3 LYS A 65 21.352 -6.468 17.943 1.00 0.00 H new ATOM 0 HD2 LYS A 65 21.162 -4.220 18.893 1.00 0.00 H new ATOM 0 HD3 LYS A 65 21.855 -4.740 20.416 1.00 0.00 H new ATOM 0 HE2 LYS A 65 23.355 -4.922 17.757 1.00 0.00 H new ATOM 0 HE3 LYS A 65 23.483 -3.542 18.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 25.215 -4.862 19.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 23.994 -5.358 20.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 24.386 -6.319 19.267 1.00 0.00 H new ATOM 1044 N ARG A 66 18.463 -7.986 17.557 1.00 0.00 N ATOM 1045 CA ARG A 66 18.294 -8.557 16.227 1.00 0.00 C ATOM 1046 C ARG A 66 17.061 -7.974 15.543 1.00 0.00 C ATOM 1047 O ARG A 66 17.106 -7.603 14.370 1.00 0.00 O ATOM 1048 CB ARG A 66 18.170 -10.083 16.335 1.00 0.00 C ATOM 1049 CG ARG A 66 19.559 -10.711 16.628 1.00 0.00 C ATOM 1050 CD ARG A 66 20.144 -11.337 15.354 1.00 0.00 C ATOM 1051 NE ARG A 66 20.064 -10.392 14.244 1.00 0.00 N ATOM 1052 CZ ARG A 66 20.231 -10.789 12.987 1.00 0.00 C ATOM 1053 NH1 ARG A 66 20.485 -12.043 12.727 1.00 0.00 N ATOM 1054 NH2 ARG A 66 20.140 -9.926 12.013 1.00 0.00 N ATOM 0 H ARG A 66 18.279 -8.626 18.330 1.00 0.00 H new ATOM 0 HA ARG A 66 19.167 -8.308 15.623 1.00 0.00 H new ATOM 0 HB2 ARG A 66 17.470 -10.344 17.129 1.00 0.00 H new ATOM 0 HB3 ARG A 66 17.767 -10.490 15.408 1.00 0.00 H new ATOM 0 HG2 ARG A 66 20.237 -9.948 17.010 1.00 0.00 H new ATOM 0 HG3 ARG A 66 19.465 -11.471 17.404 1.00 0.00 H new ATOM 0 HD2 ARG A 66 21.182 -11.622 15.524 1.00 0.00 H new ATOM 0 HD3 ARG A 66 19.600 -12.248 15.105 1.00 0.00 H new ATOM 0 HE ARG A 66 19.876 -9.408 14.437 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.555 -12.718 13.489 1.00 0.00 H new ATOM 0 HH12 ARG A 66 20.613 -12.348 11.762 1.00 0.00 H new ATOM 0 HH21 ARG A 66 19.941 -8.947 12.216 1.00 0.00 H new ATOM 0 HH22 ARG A 66 20.268 -10.231 11.048 1.00 0.00 H new ATOM 1068 N GLN A 67 15.959 -7.910 16.282 1.00 0.00 N ATOM 1069 CA GLN A 67 14.712 -7.386 15.736 1.00 0.00 C ATOM 1070 C GLN A 67 14.911 -5.981 15.173 1.00 0.00 C ATOM 1071 O GLN A 67 14.269 -5.602 14.195 1.00 0.00 O ATOM 1072 CB GLN A 67 13.637 -7.346 16.823 1.00 0.00 C ATOM 1073 CG GLN A 67 12.288 -6.993 16.193 1.00 0.00 C ATOM 1074 CD GLN A 67 11.196 -7.005 17.258 1.00 0.00 C ATOM 1075 OE1 GLN A 67 10.135 -6.261 17.101 1.00 0.00 O flip ATOM 1076 NE2 GLN A 67 11.315 -7.707 18.263 1.00 0.00 N flip ATOM 0 H GLN A 67 15.903 -8.212 17.255 1.00 0.00 H new ATOM 0 HA GLN A 67 14.394 -8.047 14.930 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.575 -8.312 17.324 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.900 -6.610 17.582 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.342 -6.009 15.726 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.047 -7.707 15.405 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.145 -8.288 18.384 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.584 -7.708 18.974 1.00 0.00 H new ATOM 1085 N ALA A 68 15.799 -5.210 15.793 1.00 0.00 N ATOM 1086 CA ALA A 68 16.054 -3.849 15.336 1.00 0.00 C ATOM 1087 C ALA A 68 16.429 -3.839 13.855 1.00 0.00 C ATOM 1088 O ALA A 68 15.820 -3.140 13.046 1.00 0.00 O ATOM 1089 CB ALA A 68 17.197 -3.249 16.157 1.00 0.00 C ATOM 0 H ALA A 68 16.348 -5.500 16.603 1.00 0.00 H new ATOM 0 HA ALA A 68 15.148 -3.257 15.468 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.392 -2.231 15.819 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.920 -3.235 17.211 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.095 -3.853 16.026 1.00 0.00 H new ATOM 1095 N ASP A 69 17.433 -4.643 13.517 1.00 0.00 N ATOM 1096 CA ASP A 69 17.902 -4.762 12.139 1.00 0.00 C ATOM 1097 C ASP A 69 16.902 -5.535 11.285 1.00 0.00 C ATOM 1098 O ASP A 69 16.835 -5.338 10.071 1.00 0.00 O ATOM 1099 CB ASP A 69 19.258 -5.468 12.099 1.00 0.00 C ATOM 1100 CG ASP A 69 19.181 -6.801 12.829 1.00 0.00 C ATOM 1101 OD1 ASP A 69 18.562 -7.709 12.300 1.00 0.00 O ATOM 1102 OD2 ASP A 69 19.742 -6.894 13.909 1.00 0.00 O ATOM 0 H ASP A 69 17.941 -5.225 14.183 1.00 0.00 H new ATOM 0 HA ASP A 69 18.004 -3.755 11.733 1.00 0.00 H new ATOM 0 HB2 ASP A 69 19.561 -5.629 11.065 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.018 -4.837 12.559 1.00 0.00 H new ATOM 1107 N ALA A 70 16.136 -6.418 11.914 1.00 0.00 N ATOM 1108 CA ALA A 70 15.156 -7.217 11.186 1.00 0.00 C ATOM 1109 C ALA A 70 14.121 -6.331 10.498 1.00 0.00 C ATOM 1110 O ALA A 70 13.830 -6.510 9.316 1.00 0.00 O ATOM 1111 CB ALA A 70 14.449 -8.169 12.150 1.00 0.00 C ATOM 0 H ALA A 70 16.173 -6.599 12.917 1.00 0.00 H new ATOM 0 HA ALA A 70 15.684 -7.786 10.421 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.718 -8.764 11.603 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.182 -8.830 12.612 1.00 0.00 H new ATOM 0 HB3 ALA A 70 13.942 -7.593 12.924 1.00 0.00 H new ATOM 1117 N SER A 71 13.556 -5.391 11.247 1.00 0.00 N ATOM 1118 CA SER A 71 12.547 -4.494 10.697 1.00 0.00 C ATOM 1119 C SER A 71 13.182 -3.413 9.827 1.00 0.00 C ATOM 1120 O SER A 71 12.624 -3.017 8.803 1.00 0.00 O ATOM 1121 CB SER A 71 11.756 -3.844 11.832 1.00 0.00 C ATOM 1122 OG SER A 71 12.646 -3.122 12.673 1.00 0.00 O ATOM 0 H SER A 71 13.777 -5.231 12.230 1.00 0.00 H new ATOM 0 HA SER A 71 11.876 -5.083 10.072 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.998 -3.174 11.425 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.231 -4.606 12.408 1.00 0.00 H new ATOM 0 HG SER A 71 12.141 -2.703 13.401 1.00 0.00 H new ATOM 1128 N SER A 72 14.344 -2.927 10.250 1.00 0.00 N ATOM 1129 CA SER A 72 15.041 -1.880 9.509 1.00 0.00 C ATOM 1130 C SER A 72 15.516 -2.386 8.149 1.00 0.00 C ATOM 1131 O SER A 72 15.401 -1.687 7.142 1.00 0.00 O ATOM 1132 CB SER A 72 16.244 -1.388 10.312 1.00 0.00 C ATOM 1133 OG SER A 72 15.807 -0.966 11.596 1.00 0.00 O ATOM 0 H SER A 72 14.821 -3.238 11.096 1.00 0.00 H new ATOM 0 HA SER A 72 14.340 -1.061 9.348 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.982 -2.184 10.409 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.731 -0.564 9.791 1.00 0.00 H new ATOM 0 HG SER A 72 15.585 -1.750 12.140 1.00 0.00 H new ATOM 1139 N THR A 73 16.068 -3.598 8.134 1.00 0.00 N ATOM 1140 CA THR A 73 16.583 -4.183 6.899 1.00 0.00 C ATOM 1141 C THR A 73 15.637 -3.890 5.715 1.00 0.00 C ATOM 1142 O THR A 73 14.429 -4.092 5.829 1.00 0.00 O ATOM 1143 CB THR A 73 16.754 -5.706 7.081 1.00 0.00 C ATOM 1144 OG1 THR A 73 15.748 -6.188 7.960 1.00 0.00 O ATOM 1145 CG2 THR A 73 18.137 -6.023 7.676 1.00 0.00 C ATOM 0 H THR A 73 16.169 -4.190 8.958 1.00 0.00 H new ATOM 0 HA THR A 73 17.551 -3.734 6.676 1.00 0.00 H new ATOM 0 HB THR A 73 16.667 -6.190 6.108 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.127 -6.310 8.855 1.00 0.00 H new ATOM 0 HG21 THR A 73 18.242 -7.101 7.798 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.914 -5.656 7.006 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.236 -5.536 8.646 1.00 0.00 H new ATOM 1153 N PRO A 74 16.150 -3.419 4.589 1.00 0.00 N ATOM 1154 CA PRO A 74 15.301 -3.107 3.398 1.00 0.00 C ATOM 1155 C PRO A 74 14.783 -4.372 2.712 1.00 0.00 C ATOM 1156 O PRO A 74 13.779 -4.335 2.000 1.00 0.00 O ATOM 1157 CB PRO A 74 16.238 -2.313 2.472 1.00 0.00 C ATOM 1158 CG PRO A 74 17.617 -2.760 2.834 1.00 0.00 C ATOM 1159 CD PRO A 74 17.576 -3.138 4.318 1.00 0.00 C ATOM 0 HA PRO A 74 14.404 -2.551 3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 74 16.021 -2.516 1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 74 16.121 -1.239 2.619 1.00 0.00 H new ATOM 0 HG2 PRO A 74 17.921 -3.611 2.225 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.342 -1.965 2.656 1.00 0.00 H new ATOM 0 HD2 PRO A 74 18.198 -4.009 4.523 1.00 0.00 H new ATOM 0 HD3 PRO A 74 17.947 -2.327 4.945 1.00 0.00 H new ATOM 1167 N LYS A 75 15.485 -5.483 2.917 1.00 0.00 N ATOM 1168 CA LYS A 75 15.087 -6.742 2.297 1.00 0.00 C ATOM 1169 C LYS A 75 13.709 -7.170 2.796 1.00 0.00 C ATOM 1170 O LYS A 75 12.852 -7.567 2.006 1.00 0.00 O ATOM 1171 CB LYS A 75 16.134 -7.832 2.622 1.00 0.00 C ATOM 1172 CG LYS A 75 17.204 -7.898 1.523 1.00 0.00 C ATOM 1173 CD LYS A 75 17.993 -6.588 1.496 1.00 0.00 C ATOM 1174 CE LYS A 75 19.141 -6.705 0.491 1.00 0.00 C ATOM 1175 NZ LYS A 75 19.727 -5.357 0.247 1.00 0.00 N ATOM 0 H LYS A 75 16.321 -5.538 3.499 1.00 0.00 H new ATOM 0 HA LYS A 75 15.034 -6.605 1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.604 -7.618 3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.642 -8.800 2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 75 17.877 -8.736 1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 75 16.735 -8.072 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 75 17.337 -5.762 1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 75 18.385 -6.367 2.489 1.00 0.00 H new ATOM 0 HE2 LYS A 75 19.905 -7.382 0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 75 18.778 -7.130 -0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 20.507 -5.436 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 18.995 -4.724 -0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 20.088 -4.968 1.142 1.00 0.00 H new ATOM 1189 N PHE A 76 13.500 -7.084 4.105 1.00 0.00 N ATOM 1190 CA PHE A 76 12.218 -7.464 4.682 1.00 0.00 C ATOM 1191 C PHE A 76 11.112 -6.554 4.165 1.00 0.00 C ATOM 1192 O PHE A 76 10.048 -7.022 3.759 1.00 0.00 O ATOM 1193 CB PHE A 76 12.291 -7.380 6.210 1.00 0.00 C ATOM 1194 CG PHE A 76 13.102 -8.541 6.742 1.00 0.00 C ATOM 1195 CD1 PHE A 76 14.484 -8.581 6.524 1.00 0.00 C ATOM 1196 CD2 PHE A 76 12.474 -9.573 7.448 1.00 0.00 C ATOM 1197 CE1 PHE A 76 15.239 -9.654 7.014 1.00 0.00 C ATOM 1198 CE2 PHE A 76 13.228 -10.647 7.937 1.00 0.00 C ATOM 1199 CZ PHE A 76 14.610 -10.687 7.721 1.00 0.00 C ATOM 0 H PHE A 76 14.193 -6.759 4.779 1.00 0.00 H new ATOM 0 HA PHE A 76 11.992 -8.489 4.388 1.00 0.00 H new ATOM 0 HB2 PHE A 76 12.746 -6.437 6.511 1.00 0.00 H new ATOM 0 HB3 PHE A 76 11.287 -7.399 6.634 1.00 0.00 H new ATOM 0 HD1 PHE A 76 14.968 -7.785 5.978 1.00 0.00 H new ATOM 0 HD2 PHE A 76 11.408 -9.541 7.616 1.00 0.00 H new ATOM 0 HE1 PHE A 76 16.306 -9.685 6.847 1.00 0.00 H new ATOM 0 HE2 PHE A 76 12.743 -11.444 8.481 1.00 0.00 H new ATOM 0 HZ PHE A 76 15.192 -11.514 8.099 1.00 0.00 H new ATOM 1209 N ASN A 77 11.373 -5.251 4.184 1.00 0.00 N ATOM 1210 CA ASN A 77 10.398 -4.276 3.715 1.00 0.00 C ATOM 1211 C ASN A 77 10.160 -4.431 2.216 1.00 0.00 C ATOM 1212 O ASN A 77 9.041 -4.246 1.735 1.00 0.00 O ATOM 1213 CB ASN A 77 10.877 -2.856 4.019 1.00 0.00 C ATOM 1214 CG ASN A 77 11.208 -2.727 5.502 1.00 0.00 C ATOM 1215 OD1 ASN A 77 11.103 -3.772 6.276 1.00 0.00 O flip ATOM 1216 ND2 ASN A 77 11.581 -1.648 5.965 1.00 0.00 N flip ATOM 0 H ASN A 77 12.248 -4.848 4.518 1.00 0.00 H new ATOM 0 HA ASN A 77 9.459 -4.455 4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.757 -2.623 3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.106 -2.136 3.746 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.662 -0.833 5.357 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.809 -1.570 6.956 1.00 0.00 H new ATOM 1223 N GLY A 78 11.223 -4.753 1.482 1.00 0.00 N ATOM 1224 CA GLY A 78 11.120 -4.912 0.034 1.00 0.00 C ATOM 1225 C GLY A 78 10.099 -5.984 -0.324 1.00 0.00 C ATOM 1226 O GLY A 78 9.264 -5.787 -1.207 1.00 0.00 O ATOM 0 H GLY A 78 12.157 -4.908 1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.832 -3.964 -0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 78 12.094 -5.180 -0.377 1.00 0.00 H new ATOM 1230 N VAL A 79 10.168 -7.114 0.371 1.00 0.00 N ATOM 1231 CA VAL A 79 9.243 -8.210 0.120 1.00 0.00 C ATOM 1232 C VAL A 79 7.816 -7.766 0.412 1.00 0.00 C ATOM 1233 O VAL A 79 6.897 -8.050 -0.355 1.00 0.00 O ATOM 1234 CB VAL A 79 9.596 -9.408 1.002 1.00 0.00 C ATOM 1235 CG1 VAL A 79 8.611 -10.546 0.733 1.00 0.00 C ATOM 1236 CG2 VAL A 79 11.020 -9.876 0.683 1.00 0.00 C ATOM 0 H VAL A 79 10.850 -7.293 1.108 1.00 0.00 H new ATOM 0 HA VAL A 79 9.322 -8.500 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 79 9.537 -9.117 2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.862 -11.401 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.599 -10.213 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.669 -10.837 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.272 -10.730 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.081 -10.167 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.722 -9.064 0.876 1.00 0.00 H new ATOM 1246 N LYS A 80 7.642 -7.069 1.528 1.00 0.00 N ATOM 1247 CA LYS A 80 6.324 -6.590 1.912 1.00 0.00 C ATOM 1248 C LYS A 80 5.710 -5.758 0.787 1.00 0.00 C ATOM 1249 O LYS A 80 5.818 -4.532 0.781 1.00 0.00 O ATOM 1250 CB LYS A 80 6.430 -5.741 3.186 1.00 0.00 C ATOM 1251 CG LYS A 80 5.061 -5.648 3.860 1.00 0.00 C ATOM 1252 CD LYS A 80 5.113 -4.620 4.996 1.00 0.00 C ATOM 1253 CE LYS A 80 5.980 -5.148 6.149 1.00 0.00 C ATOM 1254 NZ LYS A 80 5.700 -4.356 7.378 1.00 0.00 N ATOM 0 H LYS A 80 8.391 -6.825 2.177 1.00 0.00 H new ATOM 0 HA LYS A 80 5.682 -7.450 2.102 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.153 -6.184 3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.793 -4.743 2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.304 -5.360 3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.771 -6.623 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.520 -3.679 4.626 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.105 -4.412 5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.767 -6.202 6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.036 -5.075 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.553 -4.323 7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.426 -3.389 7.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.925 -4.802 7.909 1.00 0.00 H new ATOM 1268 N LYS A 81 5.063 -6.435 -0.157 1.00 0.00 N ATOM 1269 CA LYS A 81 4.432 -5.749 -1.280 1.00 0.00 C ATOM 1270 C LYS A 81 3.567 -6.723 -2.075 1.00 0.00 C ATOM 1271 O LYS A 81 2.437 -6.947 -1.671 1.00 0.00 O ATOM 1272 CB LYS A 81 5.502 -5.142 -2.197 1.00 0.00 C ATOM 1273 CG LYS A 81 4.850 -4.214 -3.244 1.00 0.00 C ATOM 1274 CD LYS A 81 4.682 -2.803 -2.668 1.00 0.00 C ATOM 1275 CE LYS A 81 4.079 -1.883 -3.731 1.00 0.00 C ATOM 1276 NZ LYS A 81 3.777 -0.558 -3.120 1.00 0.00 N ATOM 1277 OXT LYS A 81 4.046 -7.226 -3.077 1.00 0.00 O ATOM 0 H LYS A 81 4.962 -7.450 -0.168 1.00 0.00 H new ATOM 0 HA LYS A 81 3.801 -4.951 -0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.223 -4.581 -1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.053 -5.937 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.466 -4.177 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.879 -4.612 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.037 -2.832 -1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.647 -2.415 -2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.774 -1.763 -4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.169 -2.325 -4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.367 0.071 -3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.099 -0.681 -2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.654 -0.137 -2.752 1.00 0.00 H new